2,10-diazaspiro[4.6]undecan-1-one

C9H16N2O — CID 105433866

IUPAC2,10-diazaspiro[4.6]undecan-1-one
SMILESO=C1NCCC12CCCCNC2
InChIInChI=1S/C9H16N2O/c12-8-9(4-6-11-8)3-1-2-5-10-7-9/h10H,1-7H2,(H,11,12)
InChIKeyNIJSWDAMBIQKKO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.27
Rot. Bonds

About 2,10-diazaspiro[4.6]undecan-1-one

2,10-diazaspiro[4.6]undecan-1-one (PubChem CID 105433866) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,10-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name2,10-diazaspiro[4.6]undecan-1-one
PubChem CID105433866
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,10-diazaspiro[4.6]undecan-1-one
SMILESO=C1NCCC12CCCCNC2
InChIInChI=1S/C9H16N2O/c12-8-9(4-6-11-8)3-1-2-5-10-7-9/h10H,1-7H2,(H,11,12)
InChIKeyNIJSWDAMBIQKKO-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,9-diazaspiro[4.5]decan-1-one
CID 23135196
2,8-diazaspiro[5.5]undecan-1-one
CID 45074354
2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 160560664
2,13-diazaspiro[6.8]pentadecan-1-one
CID 175637955
(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one
CID 166682645
8,11,15,18-tetrazaspiro[5.13]nonadecan-5-one
CID 101251963
8,8-dimethyl-2-azaspiro[4.5]decan-1-one
CID 148701523
2-azaspiro[4.4]nonan-4-one
CID 21494522
2-azaspiro[4.4]nonane-1,8-dione
CID 53493142
7-methyl-7,10-diazaspiro[4.6]undecan-11-one
CID 115100243
6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
CID 101251967
8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one
CID 158981180

Frequently Asked Questions

What is the IUPAC name of 2,10-diazaspiro[4.6]undecan-1-one?
The IUPAC name of 2,10-diazaspiro[4.6]undecan-1-one (CID 105433866) is 2,10-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for 2,10-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for 2,10-diazaspiro[4.6]undecan-1-one is O=C1NCCC12CCCCNC2.
What is the InChIKey of 2,10-diazaspiro[4.6]undecan-1-one?
The InChIKey is NIJSWDAMBIQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8-9(4-6-11-8)3-1-2-5-10-7-9/h10H,1-7H2,(H,11,12).
What are the key properties of 2,10-diazaspiro[4.6]undecan-1-one?
2,10-diazaspiro[4.6]undecan-1-one has a molecular weight of 168.24 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 105433866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).